2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate

C22H21NO4 — CID 54469991

IUPAC2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
SMILESO=C(OCCN1CCOCC1)c1ccc2c(=O)c3ccccc3ccc2c1
InChIInChI=1S/C22H21NO4/c24-21-19-4-2-1-3-16(19)5-6-17-15-18(7-8-20(17)21)22(25)27-14-11-23-9-12-26-13-10-23/h1-8,15H,9-14H2
InChIKeyXHQQJWHOHPPWSK-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.84
Rot. Bonds4

About 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate

2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate (PubChem CID 54469991) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
PubChem CID54469991
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
SMILESO=C(OCCN1CCOCC1)c1ccc2c(=O)c3ccccc3ccc2c1
InChIInChI=1S/C22H21NO4/c24-21-19-4-2-1-3-16(19)5-6-17-15-18(7-8-20(17)21)22(25)27-14-11-23-9-12-26-13-10-23/h1-8,15H,9-14H2
InChIKeyXHQQJWHOHPPWSK-UHFFFAOYSA-N
XLogP2.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate with MolForge

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Related Compounds

2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 57205896
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
CID 167823575
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
2-morpholin-4-ylethyl 4-ethynylbenzoate;hydrochloride
CID 71386007
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate (CID 54469991) is 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate is O=C(OCCN1CCOCC1)c1ccc2c(=O)c3ccccc3ccc2c1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate?
The InChIKey is XHQQJWHOHPPWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-21-19-4-2-1-3-16(19)5-6-17-15-18(7-8-20(17)21)22(25)27-14-11-23-9-12-26-13-10-23/h1-8,15H,9-14H2.
What are the key properties of 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate?
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate is sourced from PubChem (CID 54469991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).